N,N-diethyl-2-[4-(4-piperidin-1-ylphthalazin-1-yl)phenoxy]acetamide

C25H30N4O2 — CID 3246775

IUPACN,N-diethyl-2-[4-(4-piperidin-1-ylphthalazin-1-yl)phenoxy]acetamide
SMILESCCN(CC)C(=O)COc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1
InChIInChI=1S/C25H30N4O2/c1-3-28(4-2)23(30)18-31-20-14-12-19(13-15-20)24-21-10-6-7-11-22(21)25(27-26-24)29-16-8-5-9-17-29/h6-7,10-15H,3-5,8-9,16-18H2,1-2H3
InChIKeyYZYRWDMCKRXYKT-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.53
Rot. Bonds7

About N,N-diethyl-2-[4-(4-piperidin-1-ylphthalazin-1-yl)phenoxy]acetamide

N,N-diethyl-2-[4-(4-piperidin-1-ylphthalazin-1-yl)phenoxy]acetamide (PubChem CID 3246775) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(4-piperidin-1-ylphthalazin-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(4-piperidin-1-ylphthalazin-1-yl)phenoxy]acetamide
PubChem CID3246775
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN,N-diethyl-2-[4-(4-piperidin-1-ylphthalazin-1-yl)phenoxy]acetamide
SMILESCCN(CC)C(=O)COc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1
InChIInChI=1S/C25H30N4O2/c1-3-28(4-2)23(30)18-31-20-14-12-19(13-15-20)24-21-10-6-7-11-22(21)25(27-26-24)29-16-8-5-9-17-29/h6-7,10-15H,3-5,8-9,16-18H2,1-2H3
InChIKeyYZYRWDMCKRXYKT-UHFFFAOYSA-N
XLogP4.53
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-p-Tolyloxy-1-[4-(4-p-tolyl-phthalazin-1-yl)-piperazin-1-yl]-ethanone
CID 6407401
N-Methyl-2-[4-(4-methyl-phthalazin-1-ylamino)-phenoxy]-acetamide
CID 16682703
2-Phenoxy-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone
CID 662606
2-(4-Methoxyphenoxy)-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone
CID 662795
1-(4-Ethoxyphenyl)-4-(piperidin-1-yl)phthalazine
CID 6401112
2-(4-Nitrophenoxy)-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone
CID 6404186
1-[4-[4-(4-Methylphenyl)phthalazin-1-yl]piperazin-1-yl]-2-phenoxyethanone
CID 6407344
1-(4-Ethoxyphenyl)-4-(morpholin-4-yl)phthalazine
CID 6401111
1-(4-Methoxyphenyl)-4-(morpholin-4-yl)phthalazine
CID 6401297
1-[4-(Furan-2-carbonyl)piperazin-1-YL]-4-phenylphthalazine
CID 6405276
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-phenoxyacetamide
CID 7422442
N-[3-[6-(4-methylpiperazino)pyridazin-3-yl]phenyl]-2-phenoxy-acetamide
CID 7593156

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(4-piperidin-1-ylphthalazin-1-yl)phenoxy]acetamide?
The IUPAC name of N,N-diethyl-2-[4-(4-piperidin-1-ylphthalazin-1-yl)phenoxy]acetamide (CID 3246775) is N,N-diethyl-2-[4-(4-piperidin-1-ylphthalazin-1-yl)phenoxy]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-(4-piperidin-1-ylphthalazin-1-yl)phenoxy]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-(4-piperidin-1-ylphthalazin-1-yl)phenoxy]acetamide is CCN(CC)C(=O)COc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1.
What is the InChIKey of N,N-diethyl-2-[4-(4-piperidin-1-ylphthalazin-1-yl)phenoxy]acetamide?
The InChIKey is YZYRWDMCKRXYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-3-28(4-2)23(30)18-31-20-14-12-19(13-15-20)24-21-10-6-7-11-22(21)25(27-26-24)29-16-8-5-9-17-29/h6-7,10-15H,3-5,8-9,16-18H2,1-2H3.
What are the key properties of N,N-diethyl-2-[4-(4-piperidin-1-ylphthalazin-1-yl)phenoxy]acetamide?
N,N-diethyl-2-[4-(4-piperidin-1-ylphthalazin-1-yl)phenoxy]acetamide has a molecular weight of 418.54 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-(4-piperidin-1-ylphthalazin-1-yl)phenoxy]acetamide is sourced from PubChem (CID 3246775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).